1453-5001 Screening compound: 1-(4-AMINO-1,2,5-OXADIAZOL-3-YL)-N'-[(E)-(4-METHOXYPHENYL)METHYLIDENE]-5-[(MORPHOLIN-4-YL)METHYL]-1H-1,2,3-TRIAZOLE-4-CARBOHYDRAZIDE

1453-5001 Screening compound: 1-(4-AMINO-1,2,5-OXADIAZOL-3-YL)-N'-[(E)-(4-METHOXYPHENYL)METHYLIDENE]-5-[(MORPHOLIN-4-YL)METHYL]-1H-1,2,3-TRIAZOLE-4-CARBOHYDRAZIDE
1453-5001 Screening compound: 1-(4-AMINO-1,2,5-OXADIAZOL-3-YL)-N'-[(E)-(4-METHOXYPHENYL)METHYLIDENE]-5-[(MORPHOLIN-4-YL)METHYL]-1H-1,2,3-TRIAZOLE-4-CARBOHYDRAZIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound 1453-5001
1-(4-AMINO-1,2,5-OXADIAZOL-3-YL)-N'-[(E)-(4-METHOXYPHENYL)METHYLIDENE]-5-[(MORPHOLIN-4-YL)METHYL]-1H-1,2,3-TRIAZOLE-4-CARBOHYDRAZIDE

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

1453-5001

Molecular Formula

C18H21N9O4 (C18 H21 N9 O4)

Compound Name

1-(4-AMINO-1,2,5-OXADIAZOL-3-YL)-N'-[(E)-(4-METHOXYPHENYL)METHYLIDENE]-5-[(MORPHOLIN-4-YL)METHYL]-1H-1,2,3-TRIAZOLE-4-CARBOHYDRAZIDE

IUPAC name

n/a

SMILES

COc1ccc(/C=N/NC(c2c(CN3CCOCC3)n(-c3nonc3N)nn2)=O)cc1

InChI

InChI=1S/C18H21N9O4/c1-29-13-4-2-12(3-5-13)10-20-22-18(28)15-14(11-26-6-8-30-9-7-26)27(25-21-15)17-16(19)23-31-24-17/h2-5,10H,6-9,11H2,1H3,(H2,19,23)(H,22,28)

InChI Key

UCTBEDBJJJLFMQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00759682

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.42

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

0.554

Distribution Coefficient, logD

0.526

Water Solubility, LogSw

-1.93

Polar Surface Area

137.340

Acid Dissociation Constant (pKa)

8.66

Base Dissociation Constant (pKb)

5.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 1453-5001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1453-5001?
Check Price and Availability of 1453-5001, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 1453-5001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1453-5001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1453-5001
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 1453-5001 available by request